#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q95 n THR 2 N 0.00 4.20 -2.17 2.03 -1.04 -1.26 -4.96 114.28 111.08 1q95 n THR 2 Ca 0.00 -4.54 -0.40 0.00 -2.04 0.00 0.00 64.05 57.07 1q95 n THR 2 Cb 0.00 -2.44 -0.03 0.00 -1.82 0.00 0.00 70.33 66.04 1q95 n THR 2 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1q95 s HIS 3 N 1.85 1.86 0.00 -1.42 0.09 -1.26 -4.69 115.29 111.73 1q95 s HIS 3 Ca 0.44 0.60 0.00 0.00 -0.00 0.00 0.00 55.06 56.10 1q95 s HIS 3 Cb 0.00 -4.22 0.00 0.00 -0.00 0.00 0.00 32.58 28.36 1q95 s HIS 3 CO 0.01 -2.28 0.00 -0.25 -0.00 0.00 0.00 174.74 172.22 1q95 n ASP 4 N 11.54 4.05 0.01 1.40 9.92 -1.26 -4.76 116.55 137.45 1q95 n ASP 4 Ca 0.17 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.33 1q95 n ASP 4 Cb 0.51 0.72 -0.07 0.00 -0.64 0.00 0.00 41.12 41.63 1q95 n ASP 4 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 1q95 h ASN 5 N 0.00 -0.12 -5.26 -2.24 2.35 -2.04 -3.48 115.58 104.79 1q95 h ASN 5 Ca 0.00 -0.41 -0.37 0.00 -0.55 0.00 0.00 56.30 54.97 1q95 h ASN 5 Cb 0.19 0.03 -0.14 0.00 0.05 0.00 0.00 38.32 38.45 1q95 h ASN 5 CO 0.00 0.51 -0.56 -0.54 -1.65 0.00 0.00 177.43 175.19 1q95 s LYS 6 N -2.85 1.50 -1.29 0.81 1.02 -1.26 -5.09 119.74 112.59 1q95 s LYS 6 Ca -0.12 -1.84 -0.07 0.00 0.02 0.00 0.00 55.97 53.97 1q95 s LYS 6 Cb -0.00 0.11 0.15 0.00 -0.52 0.00 0.00 37.83 37.56 1q95 s LYS 6 CO 0.43 -0.47 2.18 1.28 -0.92 0.00 0.00 175.35 177.84 1q95 n LEU 7 N -0.49 7.53 -2.48 3.17 4.77 -1.26 -4.70 117.00 123.53 1q95 n LEU 7 Ca 0.03 -4.83 -0.03 0.00 -0.03 0.00 0.00 56.01 51.14 1q95 n LEU 7 Cb 0.65 -1.39 -0.03 0.00 -2.33 0.00 0.00 43.42 40.32 1q95 n LEU 7 CO 0.34 1.83 -0.60 1.67 -1.33 0.00 0.00 177.39 179.30 1q95 n GLN 8 N 2.37 -4.88 0.18 3.23 -0.06 -1.26 -4.96 117.38 112.00 1q95 n GLN 8 Ca 0.53 3.61 -0.08 0.00 -2.00 0.00 0.00 57.00 59.06 1q95 n GLN 8 Cb 0.29 -4.92 -0.04 0.00 -4.06 0.00 0.00 30.24 21.51 1q95 n GLN 8 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1q95 h VAL 9 N 4.16 0.00 -3.36 1.69 2.07 -1.93 -3.49 116.25 115.39 1q95 h VAL 9 Ca -0.32 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1q95 h VAL 9 Cb 0.73 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1q95 h VAL 9 CO 0.01 0.00 0.00 1.21 0.02 0.00 0.00 177.57 178.81 1q95 n GLU 10 N -4.62 2.17 0.00 1.57 2.13 -1.26 -4.91 120.64 115.72 1q95 n GLU 10 Ca -0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.76 1q95 n GLU 10 Cb 0.20 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.91 1q95 n GLU 10 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1q95 n ALA 11 N -3.00 1.42 -2.96 4.31 0.00 -1.26 -5.04 120.51 113.98 1q95 n ALA 11 Ca 0.00 -0.01 -0.36 0.00 0.00 0.00 0.00 53.44 53.07 1q95 n ALA 11 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1q95 n ALA 11 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1q95 s ILE 12 N -0.16 4.46 -0.40 0.00 1.01 -1.26 -5.07 121.20 119.79 1q95 s ILE 12 Ca 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 60.65 60.50 1q95 s ILE 12 Cb 0.00 -3.07 0.11 0.00 0.01 0.00 0.00 42.46 39.51 1q95 s ILE 12 CO 0.00 0.36 0.18 -0.54 0.00 0.00 0.00 174.94 174.94 1q95 s LYS 13 N 1.32 1.93 0.00 2.79 1.02 -1.26 -4.80 119.74 120.73 1q95 s LYS 13 Ca 0.05 -1.83 0.00 0.00 0.02 0.00 0.00 55.97 54.21 1q95 s LYS 13 Cb -0.15 -3.53 0.00 0.00 -0.52 0.00 0.00 37.83 33.64 1q95 s LYS 13 CO 0.04 -1.05 0.02 0.54 -0.92 0.00 0.00 175.35 173.98 1q95 n ARG 14 N 4.54 1.45 0.00 1.68 1.74 -0.91 -2.20 116.66 122.96 1q95 n ARG 14 Ca -0.01 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 1q95 n ARG 14 Cb 0.41 -0.22 0.00 0.00 -1.02 0.00 0.00 32.46 31.63 1q95 n ARG 14 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q95 n GLY 15 N 0.21 0.48 3.23 -0.13 0.00 -1.25 -4.60 105.19 103.13 1q95 n GLY 15 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1q95 n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q95 s THR 16 N 2.26 0.70 -0.03 2.61 2.01 0.92 -2.34 115.64 121.78 1q95 s THR 16 Ca 0.00 -1.97 -0.00 0.00 0.31 0.00 0.00 61.69 60.02 1q95 s THR 16 Cb 0.00 -2.01 0.03 0.00 0.01 0.00 0.00 72.50 70.53 1q95 s THR 16 CO 0.00 -0.57 0.04 -0.69 -0.69 0.00 0.00 174.62 172.71 1q95 s VAL 17 N -3.64 -0.07 -0.26 3.82 1.01 -1.26 -2.16 120.40 117.85 1q95 s VAL 17 Ca 0.21 0.27 -0.11 0.00 0.00 0.00 0.00 61.98 62.35 1q95 s VAL 17 Cb 0.06 -0.10 -0.05 0.00 0.00 0.00 0.00 36.38 36.29 1q95 s VAL 17 CO 0.02 0.11 0.17 -0.63 0.00 0.00 0.00 175.10 174.77 1q95 s ILE 18 N 1.34 5.30 0.07 2.22 1.01 -0.27 -3.13 121.20 127.75 1q95 s ILE 18 Ca -0.06 0.16 0.08 0.00 0.00 0.00 0.00 60.65 60.84 1q95 s ILE 18 Cb -0.13 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 1q95 s ILE 18 CO -0.03 0.30 -0.21 -1.81 0.00 0.00 0.00 174.94 173.20 1q95 s ASP 19 N 1.38 2.50 -0.22 3.58 1.01 0.21 -3.36 116.67 121.77 1q95 s ASP 19 Ca 0.07 -0.61 -0.07 0.00 0.71 0.00 0.00 52.55 52.65 1q95 s ASP 19 Cb -0.15 -0.17 0.01 0.00 1.01 0.00 0.00 42.92 43.62 1q95 s ASP 19 CO 0.07 0.10 0.27 1.41 0.21 0.00 0.00 175.17 177.24 1q95 n HIS 20 N 1.44 -1.92 -4.57 4.23 8.25 -1.16 -1.39 115.22 120.09 1q95 n HIS 20 Ca -0.18 0.79 -0.31 0.00 -0.26 0.00 0.00 57.72 57.76 1q95 n HIS 20 Cb 0.53 -2.89 -0.17 0.00 1.12 0.00 0.00 29.99 28.59 1q95 n HIS 20 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1q95 s ILE 21 N -1.70 1.79 0.72 1.59 1.01 -1.24 -4.46 121.20 118.91 1q95 s ILE 21 Ca 0.11 -0.82 -0.11 0.00 0.00 0.00 0.00 60.65 59.84 1q95 s ILE 21 Cb -0.03 -1.60 -0.06 0.00 0.01 0.00 0.00 42.46 40.78 1q95 s ILE 21 CO 0.41 0.50 -0.52 -2.65 0.00 0.00 0.00 174.94 172.68 1q95 n PRO 22 N 4.13 -0.19 -1.52 2.79 -0.02 -1.26 -3.22 135.00 135.71 1q95 n PRO 22 Ca -0.19 -0.06 -0.42 0.00 -2.02 0.00 0.00 63.50 60.81 1q95 n PRO 22 Cb 0.51 -1.05 -0.06 0.00 -0.02 0.00 0.00 33.50 32.89 1q95 n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q95 n ALA 23 N -3.30 0.95 -0.99 3.55 0.00 -1.26 -2.15 120.51 117.30 1q95 n ALA 23 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1q95 n ALA 23 Cb 0.30 -2.85 0.00 0.00 0.00 0.00 0.00 19.45 16.90 1q95 n ALA 23 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1q95 n GLN 24 N 8.68 -1.38 0.19 0.00 7.27 -1.26 -4.82 117.38 126.06 1q95 n GLN 24 Ca 0.42 0.35 0.14 0.00 0.07 0.00 0.00 57.00 57.97 1q95 n GLN 24 Cb 0.37 -4.40 0.57 0.00 2.41 0.00 0.00 30.24 29.19 1q95 n GLN 24 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 1q95 h ILE 25 N 0.00 0.00 -0.76 1.69 1.08 -1.71 -2.97 117.51 114.83 1q95 h ILE 25 Ca 0.00 -0.36 -0.05 0.00 -0.39 0.00 0.00 64.86 64.05 1q95 h ILE 25 Cb 0.69 1.22 -0.03 0.00 -3.07 0.00 0.00 36.82 35.63 1q95 h ILE 25 CO 0.00 0.00 0.27 1.23 -0.69 0.00 0.00 178.15 178.96 1q95 h GLY 26 N 2.23 1.26 0.83 5.37 0.00 -1.86 -0.89 103.07 110.01 1q95 h GLY 26 Ca 0.00 -0.72 -0.02 0.00 0.00 0.00 0.00 47.33 46.59 1q95 h GLY 26 CO 0.00 0.67 -0.24 -2.75 0.00 0.00 0.00 176.54 174.23 1q95 h PHE 27 N 1.13 -0.61 -0.71 5.60 3.57 -1.92 -2.26 116.94 121.73 1q95 h PHE 27 Ca 0.25 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.81 1q95 h PHE 27 Cb 0.27 0.20 -0.06 0.00 2.79 0.00 0.00 35.95 39.15 1q95 h PHE 27 CO 0.02 -0.31 0.38 0.87 -2.23 0.00 0.00 178.31 177.05 1q95 h LYS 28 N -0.84 0.67 -0.77 1.11 1.57 -1.67 -1.66 116.57 114.98 1q95 h LYS 28 Ca -0.07 -0.04 0.14 0.00 -1.87 0.00 0.00 60.65 58.81 1q95 h LYS 28 Cb 0.58 -0.15 -0.09 0.00 0.08 0.00 0.00 32.23 32.64 1q95 h LYS 28 CO 0.11 0.44 0.34 1.25 -0.57 0.00 0.00 179.45 181.02 1q95 h LEU 29 N 0.69 0.35 -0.56 2.94 5.85 -1.03 0.54 115.31 124.08 1q95 h LEU 29 Ca 0.33 0.10 -0.15 0.00 0.84 0.00 0.00 57.88 59.00 1q95 h LEU 29 Cb 0.26 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1q95 h LEU 29 CO -0.21 0.14 -0.43 -0.07 -0.34 0.00 0.00 178.44 177.53 1q95 h LEU 30 N 0.49 0.72 -0.79 2.25 3.38 -0.72 -2.79 115.31 117.85 1q95 h LEU 30 Ca 0.42 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1q95 h LEU 30 Cb 0.62 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1q95 h LEU 30 CO -0.39 1.05 -0.16 -1.28 0.09 0.00 0.00 178.44 177.76 1q95 h SER 31 N 0.55 0.00 0.26 -0.43 0.87 -0.22 -3.30 113.55 111.27 1q95 h SER 31 Ca 0.04 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1q95 h SER 31 Cb 0.96 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 1q95 h SER 31 CO 0.09 0.16 -0.12 -0.07 -0.53 0.00 0.00 176.83 176.35 1q95 h LEU 32 N 0.00 -0.29 -4.89 2.23 3.38 0.23 -3.33 115.31 112.65 1q95 h LEU 32 Ca -0.00 -0.19 -0.55 0.00 0.09 0.00 0.00 57.88 57.22 1q95 h LEU 32 Cb 0.84 0.08 -0.10 0.00 0.09 0.00 0.00 40.66 41.56 1q95 h LEU 32 CO 0.02 0.21 1.56 0.49 0.09 0.00 0.00 178.44 180.81 1q95 n PHE 33 N -5.01 1.78 0.00 1.13 0.99 -1.09 -4.96 117.46 110.31 1q95 n PHE 33 Ca -0.07 -2.36 0.00 0.00 -0.00 0.00 0.00 57.45 55.02 1q95 n PHE 33 Cb 0.23 -1.78 0.00 0.00 -1.00 0.00 0.00 39.48 36.94 1q95 n PHE 33 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1q95 n LYS 34 N 1.95 -1.00 -3.15 -1.08 5.02 -1.25 -4.98 118.16 113.66 1q95 n LYS 34 Ca 0.58 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.55 1q95 n LYS 34 Cb 0.46 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.42 1q95 n LYS 34 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1q95 s LEU 35 N 0.00 4.03 0.00 -0.35 1.43 -1.26 -5.05 118.68 117.48 1q95 s LEU 35 Ca 0.00 1.12 0.00 0.00 -1.03 0.00 0.00 54.13 54.22 1q95 s LEU 35 Cb 0.00 -3.93 0.00 0.00 0.03 0.00 0.00 46.19 42.29 1q95 s LEU 35 CO 0.00 -0.22 0.00 0.41 0.23 0.00 0.00 176.35 176.77 1q95 n THR 36 N -0.57 0.00 0.00 5.49 -1.04 -1.26 -5.13 114.28 111.77 1q95 n THR 36 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1q95 n THR 36 Cb 0.53 -0.18 0.00 0.00 -1.82 0.00 0.00 70.33 68.86 1q95 n THR 36 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1q95 n GLU 37 N -0.20 0.00 -0.64 -2.82 1.02 -1.26 -5.10 120.64 111.64 1q95 n GLU 37 Ca 0.00 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.93 1q95 n GLU 37 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.41 1q95 n GLU 37 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1q95 n THR 38 N -0.07 0.72 -1.69 2.62 -2.24 -1.26 -4.65 114.28 107.72 1q95 n THR 38 Ca 0.00 -0.23 -0.57 0.00 -2.27 0.00 0.00 64.05 60.98 1q95 n THR 38 Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 1q95 n THR 38 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1q95 n ASP 39 N 0.98 2.21 -4.71 3.42 8.00 -1.26 -4.88 116.55 120.31 1q95 n ASP 39 Ca 0.07 1.09 -0.42 0.00 0.71 0.00 0.00 54.79 56.24 1q95 n ASP 39 Cb 0.14 -1.14 -0.03 0.00 -0.02 0.00 0.00 41.12 40.07 1q95 n ASP 39 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1q95 s GLN 40 N 2.93 4.41 1.26 -1.24 -1.52 -1.26 -5.02 119.66 119.21 1q95 s GLN 40 Ca 0.96 1.78 -0.17 0.00 -1.95 0.00 0.00 55.36 55.98 1q95 s GLN 40 Cb -1.06 -3.39 0.29 0.00 -0.22 0.00 0.00 33.01 28.64 1q95 s GLN 40 CO 0.62 -0.31 0.78 0.54 -0.25 0.00 0.00 175.29 176.67 1q95 n ARG 41 N 4.20 -3.11 -4.03 2.91 5.12 -1.26 -5.01 116.66 115.48 1q95 n ARG 41 Ca 0.10 -0.90 -0.31 0.00 -1.93 0.00 0.00 57.85 54.80 1q95 n ARG 41 Cb 0.46 -1.98 -0.15 0.00 -1.16 0.00 0.00 32.46 29.62 1q95 n ARG 41 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1q95 s ILE 42 N -2.27 2.02 0.09 0.55 1.09 -1.26 -5.06 121.20 116.36 1q95 s ILE 42 Ca 0.65 -1.61 0.06 0.00 -1.10 0.00 0.00 60.65 58.65 1q95 s ILE 42 Cb -0.19 -2.20 -0.03 0.00 -1.06 0.00 0.00 42.46 38.98 1q95 s ILE 42 CO 0.62 -0.11 -0.15 -0.89 -0.10 0.00 0.00 174.94 174.31 1q95 s THR 43 N 1.16 1.24 0.31 2.92 2.01 -1.26 -5.02 115.64 117.00 1q95 s THR 43 Ca -0.06 -1.47 -0.29 0.00 0.31 0.00 0.00 61.69 60.18 1q95 s THR 43 Cb -0.20 -1.28 -0.10 0.00 0.01 0.00 0.00 72.50 70.94 1q95 s THR 43 CO -0.06 -0.27 1.19 -0.63 -0.69 0.00 0.00 174.62 174.15 1q95 s ILE 44 N -1.56 3.15 0.00 1.82 1.01 -1.26 -4.98 121.20 119.38 1q95 s ILE 44 Ca 0.03 1.14 0.00 0.00 0.00 0.00 0.00 60.65 61.81 1q95 s ILE 44 Cb -0.08 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.67 1q95 s ILE 44 CO 0.03 0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.83 1q95 n GLY 45 N 0.97 1.39 3.79 6.18 0.00 -1.26 -4.22 105.19 112.04 1q95 n GLY 45 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1q95 n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q95 s LEU 46 N 0.00 3.77 0.00 0.99 1.43 -1.26 -4.54 118.68 119.07 1q95 s LEU 46 Ca 0.00 -0.17 0.03 0.00 -1.03 0.00 0.00 54.13 52.96 1q95 s LEU 46 Cb 0.00 -2.37 0.04 0.00 0.03 0.00 0.00 46.19 43.89 1q95 s LEU 46 CO 0.00 0.05 0.78 0.59 0.23 0.00 0.00 176.35 178.00 1q95 n ASN 47 N -0.47 -0.14 -4.59 2.29 3.02 -1.26 -5.10 115.26 109.01 1q95 n ASN 47 Ca -0.08 -1.53 -0.42 0.00 -0.03 0.00 0.00 54.58 52.52 1q95 n ASN 47 Cb 0.55 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.67 1q95 n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1q95 s LEU 48 N 0.00 4.12 -0.06 3.41 1.43 -1.26 -4.93 118.68 121.39 1q95 s LEU 48 Ca 0.03 0.43 -0.24 0.00 -1.03 0.00 0.00 54.13 53.32 1q95 s LEU 48 Cb 0.04 -3.02 -0.25 0.00 0.03 0.00 0.00 46.19 42.98 1q95 s LEU 48 CO -0.02 -0.68 0.97 -0.65 0.23 0.00 0.00 176.35 176.20 1q95 h PRO 49 N 8.37 0.19 -1.80 1.29 0.11 -2.01 -3.49 132.00 134.66 1q95 h PRO 49 Ca -0.25 -0.23 0.29 0.00 0.11 0.00 0.00 66.00 65.92 1q95 h PRO 49 Cb 1.10 0.07 -0.10 0.00 0.11 0.00 0.00 31.00 32.18 1q95 h PRO 49 CO 0.90 1.01 0.76 0.45 -0.21 0.00 0.00 178.00 180.90 1q95 s SER 50 N -6.45 -0.06 0.01 -2.05 0.15 -1.26 -5.13 113.70 98.90 1q95 s SER 50 Ca -0.16 -0.24 -0.05 0.00 0.70 0.00 0.00 55.95 56.20 1q95 s SER 50 Cb 0.00 0.25 -0.01 0.00 -1.71 0.00 0.00 66.02 64.56 1q95 s SER 50 CO 0.76 -0.47 0.09 -0.83 1.20 0.00 0.00 173.24 173.99 1q95 s GLY 51 N -3.14 0.11 0.51 9.45 0.00 -1.20 -4.99 107.32 108.06 1q95 s GLY 51 Ca 0.17 -0.29 0.23 0.00 0.00 0.00 0.00 44.72 44.83 1q95 s GLY 51 CO -0.01 -0.41 1.99 0.83 0.00 0.00 0.00 173.10 175.49 1q95 h GLU 52 N 4.29 0.06 0.00 2.90 4.39 -2.03 0.82 114.58 125.01 1q95 h GLU 52 Ca -0.31 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.38 1q95 h GLU 52 Cb 1.20 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1q95 h GLU 52 CO 0.42 0.04 -0.43 1.98 -1.16 0.00 0.00 179.01 179.86 1q95 h MET 53 N 0.07 0.00 0.00 2.33 4.05 -2.06 -3.50 114.93 115.81 1q95 h MET 53 Ca 0.26 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.68 1q95 h MET 53 Cb 0.95 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.75 1q95 h MET 53 CO -0.02 0.00 0.00 0.41 0.23 0.00 0.00 176.91 177.53 1q95 n GLY 54 N 1.18 0.64 3.69 1.39 0.00 0.28 -4.99 105.19 107.39 1q95 n GLY 54 Ca 0.03 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.14 1q95 n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q95 n ARG 55 N 0.00 2.62 -4.14 1.61 1.74 -1.26 -3.27 116.66 113.95 1q95 n ARG 55 Ca 0.00 0.95 -0.15 0.00 -0.77 0.00 0.00 57.85 57.88 1q95 n ARG 55 Cb 0.00 -2.80 -0.06 0.00 -1.02 0.00 0.00 32.46 28.58 1q95 n ARG 55 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1q95 s LYS 56 N 2.08 1.78 -0.12 5.56 2.20 -1.25 -4.57 119.74 125.41 1q95 s LYS 56 Ca 0.80 -1.77 -0.21 0.00 -0.36 0.00 0.00 55.97 54.43 1q95 s LYS 56 Cb -0.54 0.40 0.05 0.00 -1.51 0.00 0.00 37.83 36.23 1q95 s LYS 56 CO 0.37 -0.71 0.53 -0.51 -0.36 0.00 0.00 175.35 174.68 1q95 s ASP 57 N -3.25 -0.51 -0.36 1.43 1.01 -1.20 -4.75 116.67 109.05 1q95 s ASP 57 Ca 0.33 0.78 0.11 0.00 0.71 0.00 0.00 52.55 54.48 1q95 s ASP 57 Cb 0.01 0.79 0.45 0.00 1.01 0.00 0.00 42.92 45.18 1q95 s ASP 57 CO 0.20 -0.36 1.09 0.18 0.21 0.00 0.00 175.17 176.49 1q95 n LEU 58 N 1.96 3.54 -4.56 1.23 4.77 -1.26 -2.99 117.00 119.69 1q95 n LEU 58 Ca -0.17 -4.47 -0.46 0.00 -0.03 0.00 0.00 56.01 50.89 1q95 n LEU 58 Cb 0.56 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.54 1q95 n LEU 58 CO 0.15 1.89 0.50 -0.38 -1.33 0.00 0.00 177.39 178.22 1q95 n ILE 59 N -0.44 1.81 -4.11 -0.08 -0.00 -1.21 -4.59 119.36 110.74 1q95 n ILE 59 Ca 0.28 -0.45 -0.11 0.00 -0.00 0.00 0.00 62.75 62.47 1q95 n ILE 59 Cb 0.78 -0.80 -0.11 0.00 -0.00 0.00 0.00 39.64 39.51 1q95 n ILE 59 CO 0.00 0.00 0.00 -0.54 -0.00 0.00 0.00 176.55 176.01 1q95 s LYS 60 N -1.26 0.66 0.35 0.38 1.02 -1.26 -1.11 119.74 118.51 1q95 s LYS 60 Ca 0.62 -1.05 -0.05 0.00 0.02 0.00 0.00 55.97 55.51 1q95 s LYS 60 Cb -0.77 -0.19 0.01 0.00 -0.52 0.00 0.00 37.83 36.37 1q95 s LYS 60 CO 0.58 -0.00 0.53 0.42 -0.92 0.00 0.00 175.35 175.96 1q95 s ILE 61 N -2.61 0.00 0.03 2.17 1.01 -0.92 -4.77 121.20 116.11 1q95 s ILE 61 Ca 0.01 -1.49 -0.11 0.00 0.00 0.00 0.00 60.65 59.07 1q95 s ILE 61 Cb -0.02 -2.68 0.01 0.00 0.01 0.00 0.00 42.46 39.78 1q95 s ILE 61 CO -0.03 0.00 0.22 -1.61 0.00 0.00 0.00 174.94 173.52 1q95 s GLU 62 N -2.93 0.70 -1.37 2.79 2.02 -1.26 -0.06 118.70 118.60 1q95 s GLU 62 Ca 0.28 -0.55 -0.09 0.00 0.02 0.00 0.00 54.97 54.63 1q95 s GLU 62 Cb -0.01 0.29 0.02 0.00 0.10 0.00 0.00 34.13 34.53 1q95 s GLU 62 CO 0.19 -0.20 1.14 0.09 0.02 0.00 0.00 175.26 176.50 1q95 n ASN 63 N 0.77 -5.81 -4.04 -0.19 3.02 -1.26 -4.88 115.26 102.86 1q95 n ASN 63 Ca -0.19 -0.58 -0.21 0.00 -0.03 0.00 0.00 54.58 53.57 1q95 n ASN 63 Cb 0.58 -4.89 -0.15 0.00 -0.61 0.00 0.00 39.78 34.71 1q95 n ASN 63 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1q95 s THR 64 N -3.33 0.89 -0.47 3.41 2.01 -1.26 -5.11 115.64 111.78 1q95 s THR 64 Ca 0.55 -0.45 -0.13 0.00 0.31 0.00 0.00 61.69 61.96 1q95 s THR 64 Cb -0.25 -0.76 0.09 0.00 0.01 0.00 0.00 72.50 71.59 1q95 s THR 64 CO 0.74 0.26 0.38 -0.36 -0.69 0.00 0.00 174.62 174.95 1q95 s PHE 65 N -0.07 3.29 -0.22 4.92 0.40 -1.26 -4.82 117.98 120.22 1q95 s PHE 65 Ca 0.01 -1.25 0.02 0.00 -0.60 0.00 0.00 56.93 55.11 1q95 s PHE 65 Cb -0.06 -3.28 0.04 0.00 0.51 0.00 0.00 43.02 40.22 1q95 s PHE 65 CO 0.00 -0.88 -0.14 -0.51 0.70 0.00 0.00 175.22 174.39 1q95 s LEU 66 N 1.55 2.72 0.04 -0.37 1.43 -1.26 -4.93 118.68 117.86 1q95 s LEU 66 Ca 0.04 -1.01 0.00 0.00 -1.03 0.00 0.00 54.13 52.13 1q95 s LEU 66 Cb -0.25 -1.46 0.00 0.00 0.03 0.00 0.00 46.19 44.50 1q95 s LEU 66 CO 0.04 -0.11 0.00 -1.54 0.23 0.00 0.00 176.35 174.97 1q95 n SER 67 N 4.55 -0.26 -1.78 2.29 3.41 -1.22 -4.95 113.62 115.66 1q95 n SER 67 Ca -0.17 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 1q95 n SER 67 Cb 0.46 0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.90 1q95 n SER 67 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1q95 n GLU 68 N -2.61 2.50 0.00 4.33 -0.58 -1.26 -4.86 120.64 118.15 1q95 n GLU 68 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1q95 n GLU 68 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1q95 n GLU 68 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1q95 n ASP 69 N 0.00 0.00 0.08 1.62 8.00 -1.26 -2.65 116.55 122.34 1q95 n ASP 69 Ca 0.00 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.53 1q95 n ASP 69 Cb 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.25 1q95 n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q95 n GLN 70 N 0.00 0.04 -0.99 -1.24 6.02 -1.26 0.69 117.38 120.63 1q95 n GLN 70 Ca 0.00 0.40 -0.08 0.00 -0.01 0.00 0.00 57.00 57.31 1q95 n GLN 70 Cb 0.00 -1.94 0.27 0.00 1.02 0.00 0.00 30.24 29.59 1q95 n GLN 70 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1q95 n VAL 71 N -1.63 2.89 -2.69 5.09 0.24 -1.21 -4.50 118.33 116.53 1q95 n VAL 71 Ca -0.00 -1.86 -0.05 0.00 -2.04 0.00 0.00 64.34 60.38 1q95 n VAL 71 Cb 0.32 -0.37 0.09 0.00 -1.47 0.00 0.00 33.84 32.41 1q95 n VAL 71 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1q95 n ASP 72 N -0.51 -1.70 -1.79 -1.34 -0.08 0.22 -3.43 116.55 107.92 1q95 n ASP 72 Ca 0.42 -2.34 -0.03 0.00 -1.51 0.00 0.00 54.79 51.33 1q95 n ASP 72 Cb 1.36 1.21 0.27 0.00 2.34 0.00 0.00 41.12 46.31 1q95 n ASP 72 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1q95 n GLN 73 N 1.06 3.47 0.19 -0.67 1.13 -1.24 -4.17 117.38 117.15 1q95 n GLN 73 Ca 0.01 -2.58 0.09 0.00 -1.94 0.00 0.00 57.00 52.58 1q95 n GLN 73 Cb 0.71 -2.08 0.15 0.00 0.11 0.00 0.00 30.24 29.12 1q95 n GLN 73 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1q95 h LEU 74 N 2.50 0.00 -1.52 1.08 3.38 -1.92 -3.19 115.31 115.65 1q95 h LEU 74 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1q95 h LEU 74 Cb 2.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.78 1q95 h LEU 74 CO 0.59 0.20 0.00 0.00 0.09 0.00 0.00 178.44 179.32 1q95 h ALA 75 N 1.80 1.00 0.03 1.53 0.00 -1.76 0.80 119.26 122.66 1q95 h ALA 75 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.59 1q95 h ALA 75 Cb 1.11 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 1q95 h ALA 75 CO 0.03 0.00 -1.78 -0.11 0.00 0.00 0.00 179.25 177.38 1q95 n LEU 76 N -2.40 2.17 0.08 0.00 7.94 -1.20 -4.30 117.00 119.28 1q95 n LEU 76 Ca -0.01 0.31 -0.23 0.00 -1.11 0.00 0.00 56.01 54.96 1q95 n LEU 76 Cb 0.09 -0.98 -0.15 0.00 0.53 0.00 0.00 43.42 42.91 1q95 n LEU 76 CO 0.14 0.54 -0.50 1.88 -1.11 0.00 0.00 177.39 178.33 1q95 h TYR 77 N -0.64 0.75 -3.19 1.96 -1.99 -1.61 -3.42 116.97 108.83 1q95 h TYR 77 Ca -0.45 -0.55 -0.63 0.00 2.00 0.00 0.00 58.73 59.10 1q95 h TYR 77 Cb 1.60 -0.03 -0.41 0.00 2.00 0.00 0.00 36.73 39.89 1q95 h TYR 77 CO 0.05 1.67 -0.54 0.00 -0.00 0.00 0.00 178.16 179.34 1q95 s ALA 78 N -2.58 3.73 0.23 3.88 0.00 0.28 -4.95 121.76 122.35 1q95 s ALA 78 Ca -0.15 -3.70 -0.32 0.00 0.00 0.00 0.00 51.96 47.79 1q95 s ALA 78 Cb 0.05 -2.23 -0.13 0.00 0.00 0.00 0.00 23.12 20.80 1q95 s ALA 78 CO 0.86 -2.08 1.43 -2.30 0.00 0.00 0.00 175.76 173.67 1q95 n PRO 79 N 2.30 2.05 -3.54 0.00 -0.02 -1.26 -3.64 135.00 130.90 1q95 n PRO 79 Ca 0.16 0.73 -0.27 0.00 -2.02 0.00 0.00 63.50 62.10 1q95 n PRO 79 Cb 0.34 -2.40 0.02 0.00 -0.02 0.00 0.00 33.50 31.44 1q95 n PRO 79 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1q95 n GLN 80 N 2.24 -1.75 0.00 -0.52 6.02 -1.26 -4.97 117.38 117.14 1q95 n GLN 80 Ca 0.12 1.20 0.00 0.00 -0.01 0.00 0.00 57.00 58.32 1q95 n GLN 80 Cb 0.31 -2.80 0.00 0.00 1.02 0.00 0.00 30.24 28.77 1q95 n GLN 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1q95 n ALA 81 N -1.40 0.00 -3.64 -1.58 0.00 -1.24 -5.01 120.51 107.64 1q95 n ALA 81 Ca -0.16 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.19 1q95 n ALA 81 Cb 0.65 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.04 1q95 n ALA 81 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1q95 s THR 82 N 2.76 0.00 0.02 0.00 -1.32 -0.49 -4.45 115.64 112.16 1q95 s THR 82 Ca 0.00 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.45 1q95 s THR 82 Cb 0.00 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.98 1q95 s THR 82 CO 0.00 0.00 0.04 0.68 -2.21 0.00 0.00 174.62 173.13 1q95 s VAL 83 N 0.53 0.10 0.33 5.08 -7.23 -1.16 0.63 120.40 118.69 1q95 s VAL 83 Ca -0.00 -0.86 0.07 0.00 -1.81 0.00 0.00 61.98 59.38 1q95 s VAL 83 Cb -0.05 -0.38 -0.01 0.00 0.56 0.00 0.00 36.38 36.50 1q95 s VAL 83 CO -0.07 -0.47 0.45 0.20 -0.31 0.00 0.00 175.10 174.89 1q95 s ASN 84 N -1.50 5.92 -0.13 4.85 0.01 -1.18 -2.98 114.94 119.93 1q95 s ASN 84 Ca -0.15 -0.21 -0.05 0.00 -0.71 0.00 0.00 52.86 51.75 1q95 s ASN 84 Cb -0.08 -1.23 -0.16 0.00 0.41 0.00 0.00 41.25 40.18 1q95 s ASN 84 CO -0.00 -0.41 3.32 0.54 -1.51 0.00 0.00 177.10 179.03 1q95 n ARG 85 N -1.60 2.07 -2.00 -0.60 1.74 -1.18 -4.66 116.66 110.42 1q95 n ARG 85 Ca -0.01 -1.33 -0.00 0.00 -0.77 0.00 0.00 57.85 55.73 1q95 n ARG 85 Cb 0.58 -2.00 -0.00 0.00 -1.02 0.00 0.00 32.46 30.02 1q95 n ARG 85 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1q95 n ILE 86 N 1.99 -6.43 -2.31 0.55 5.41 -1.25 -4.92 119.36 112.40 1q95 n ILE 86 Ca 0.43 0.86 -0.43 0.00 1.00 0.00 0.00 62.75 64.61 1q95 n ILE 86 Cb 0.80 -5.16 -0.02 0.00 -0.71 0.00 0.00 39.64 34.55 1q95 n ILE 86 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 1q95 s ASP 87 N -0.61 6.44 -0.29 4.38 1.01 -0.99 -4.91 116.67 121.70 1q95 s ASP 87 Ca -0.02 1.15 -0.00 0.00 0.71 0.00 0.00 52.55 54.38 1q95 s ASP 87 Cb 0.00 -2.54 0.05 0.00 1.01 0.00 0.00 42.92 41.45 1q95 s ASP 87 CO 0.33 -1.28 -0.03 0.20 0.21 0.00 0.00 175.17 174.59 1q95 s ASN 88 N 3.69 4.73 -0.92 0.27 0.01 -1.25 -2.14 114.94 119.34 1q95 s ASN 88 Ca 0.62 -1.28 -0.03 0.00 -0.71 0.00 0.00 52.86 51.47 1q95 s ASN 88 Cb -0.17 -1.66 0.00 0.00 0.41 0.00 0.00 41.25 39.82 1q95 s ASN 88 CO 0.28 -0.23 0.35 0.00 -1.51 0.00 0.00 177.10 175.99 1q95 n TYR 89 N 4.57 -1.14 -2.42 2.20 9.36 -0.93 -4.20 117.16 124.59 1q95 n TYR 89 Ca -0.14 0.30 -0.03 0.00 3.32 0.00 0.00 57.90 61.35 1q95 n TYR 89 Cb 0.43 -3.06 0.00 0.00 -0.63 0.00 0.00 39.34 36.09 1q95 n TYR 89 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 1q95 n GLU 90 N -2.66 -2.01 -3.53 2.98 2.13 -1.26 -5.05 120.64 111.23 1q95 n GLU 90 Ca -0.07 1.84 -0.28 0.00 0.66 0.00 0.00 57.16 59.31 1q95 n GLU 90 Cb 0.57 -4.34 -0.15 0.00 0.27 0.00 0.00 31.44 27.79 1q95 n GLU 90 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1q95 s VAL 91 N -1.76 -0.09 0.62 6.31 1.01 -1.26 -5.13 120.40 120.10 1q95 s VAL 91 Ca 0.11 -0.74 -0.17 0.00 0.00 0.00 0.00 61.98 61.17 1q95 s VAL 91 Cb -0.03 -0.98 -0.11 0.00 0.00 0.00 0.00 36.38 35.26 1q95 s VAL 91 CO 0.55 -0.71 0.11 0.52 0.00 0.00 0.00 175.10 175.57 1q95 n VAL 92 N 5.25 0.96 0.00 2.92 0.31 -1.26 -4.68 118.33 121.84 1q95 n VAL 92 Ca -0.06 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 1q95 n VAL 92 Cb 0.42 -0.33 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 1q95 n VAL 92 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1q95 n GLY 93 N 2.24 -1.79 3.46 2.92 0.00 -1.26 -4.99 105.19 105.77 1q95 n GLY 93 Ca 0.08 0.90 -0.37 0.00 0.00 0.00 0.00 46.02 46.63 1q95 n GLY 93 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1q95 n LYS 94 N 0.00 0.44 -3.46 1.61 4.81 -1.26 -3.13 118.16 117.17 1q95 n LYS 94 Ca 0.00 0.18 0.01 0.00 -0.87 0.00 0.00 58.31 57.63 1q95 n LYS 94 Cb 0.00 -1.75 -0.03 0.00 0.02 0.00 0.00 35.03 33.27 1q95 n LYS 94 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1q95 s SER 95 N -1.27 -0.98 0.13 3.14 0.15 -1.16 -4.85 113.70 108.86 1q95 s SER 95 Ca 0.67 1.16 -0.24 0.00 0.70 0.00 0.00 55.95 58.24 1q95 s SER 95 Cb -0.41 2.04 -0.07 0.00 -1.71 0.00 0.00 66.02 65.87 1q95 s SER 95 CO 0.56 -0.19 0.72 -0.60 1.20 0.00 0.00 173.24 174.93 1q95 s ARG 96 N 2.77 4.46 0.22 5.44 3.52 -1.26 -2.99 118.95 131.10 1q95 s ARG 96 Ca -0.00 1.03 -0.32 0.00 -0.13 0.00 0.00 55.73 56.31 1q95 s ARG 96 Cb -0.11 -3.27 -0.12 0.00 -1.56 0.00 0.00 34.95 29.90 1q95 s ARG 96 CO -0.18 0.56 1.67 -2.14 -0.81 0.00 0.00 175.30 174.40 1q95 s PRO 97 N -1.02 4.14 -0.30 5.12 0.02 -1.26 -4.99 135.00 136.71 1q95 s PRO 97 Ca 0.34 2.57 -0.08 0.00 0.02 0.00 0.00 61.00 63.84 1q95 s PRO 97 Cb -0.22 -3.08 -0.00 0.00 0.02 0.00 0.00 34.50 31.22 1q95 s PRO 97 CO 0.24 -0.71 0.11 0.45 -0.33 0.00 0.00 177.00 176.76 1q95 s SER 98 N 1.04 5.33 -0.17 2.53 0.15 -1.26 -4.89 113.70 116.42 1q95 s SER 98 Ca 0.72 -0.56 -0.34 0.00 0.70 0.00 0.00 55.95 56.47 1q95 s SER 98 Cb -0.48 -1.94 -0.11 0.00 -1.71 0.00 0.00 66.02 61.77 1q95 s SER 98 CO 0.35 -0.17 1.95 -0.11 1.20 0.00 0.00 173.24 176.46 1q95 n LEU 99 N 4.93 3.11 -4.64 3.45 7.94 -1.26 -4.89 117.00 125.64 1q95 n LEU 99 Ca -0.14 0.82 -0.32 0.00 -1.11 0.00 0.00 56.01 55.26 1q95 n LEU 99 Cb 0.49 -1.34 0.16 0.00 0.53 0.00 0.00 43.42 43.25 1q95 n LEU 99 CO 0.33 -0.26 0.59 -0.81 -1.11 0.00 0.00 177.39 176.13 1q95 n PRO 100 N 6.98 -0.38 0.13 1.96 -0.04 -1.26 -4.98 135.00 137.41 1q95 n PRO 100 Ca 0.27 -0.04 -0.24 0.00 -0.04 0.00 0.00 63.50 63.44 1q95 n PRO 100 Cb 0.28 -2.32 -0.16 0.00 -0.04 0.00 0.00 33.50 31.26 1q95 n PRO 100 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1q95 h GLU 101 N -1.75 0.52 -4.40 0.54 4.11 -1.91 -3.40 114.58 108.27 1q95 h GLU 101 Ca -0.43 -0.88 -0.17 0.00 0.07 0.00 0.00 59.36 57.94 1q95 h GLU 101 Cb 1.27 0.33 -0.15 0.00 0.50 0.00 0.00 28.75 30.70 1q95 h GLU 101 CO 0.41 1.42 -0.66 1.03 0.07 0.00 0.00 179.01 181.28 1q95 s ARG 102 N -2.59 0.83 -0.14 1.06 0.52 -1.26 -1.90 118.95 115.47 1q95 s ARG 102 Ca -0.10 -1.36 -0.03 0.00 -0.52 0.00 0.00 55.73 53.72 1q95 s ARG 102 Cb 0.04 0.16 0.05 0.00 0.52 0.00 0.00 34.95 35.72 1q95 s ARG 102 CO 0.93 -0.18 0.04 0.42 0.02 0.00 0.00 175.30 176.53 1q95 s ILE 103 N -3.95 0.31 0.07 1.52 1.01 -1.04 -4.91 121.20 114.20 1q95 s ILE 103 Ca 0.17 -0.22 0.06 0.00 0.00 0.00 0.00 60.65 60.67 1q95 s ILE 103 Cb 0.07 -0.73 -0.04 0.00 0.01 0.00 0.00 42.46 41.77 1q95 s ILE 103 CO -0.03 -0.07 -0.09 -1.81 0.00 0.00 0.00 174.94 172.95 1q95 s ASP 104 N 1.97 4.49 -0.52 3.58 1.01 -1.26 -2.70 116.67 123.25 1q95 s ASP 104 Ca 0.02 -0.30 0.00 0.00 0.71 0.00 0.00 52.55 52.98 1q95 s ASP 104 Cb -0.15 -0.93 0.00 0.00 1.01 0.00 0.00 42.92 42.85 1q95 s ASP 104 CO -0.07 0.21 0.00 -3.20 0.21 0.00 0.00 175.17 172.32 1q95 n ASN 105 N 0.99 -1.74 -0.11 0.27 5.15 0.05 -4.70 115.26 115.17 1q95 n ASN 105 Ca -0.14 0.12 -0.20 0.00 -0.60 0.00 0.00 54.58 53.76 1q95 n ASN 105 Cb 0.52 -1.74 -0.07 0.00 -0.53 0.00 0.00 39.78 37.96 1q95 n ASN 105 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1q95 n VAL 106 N -1.22 1.41 -2.31 3.44 0.31 -1.26 -4.84 118.33 113.84 1q95 n VAL 106 Ca -0.05 -0.17 -0.23 0.00 -0.01 0.00 0.00 64.34 63.89 1q95 n VAL 106 Cb 0.20 -2.00 0.14 0.00 -0.91 0.00 0.00 33.84 31.27 1q95 n VAL 106 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1q95 n LEU 107 N -4.21 0.00 -3.71 7.52 4.77 -1.26 -4.90 117.00 115.21 1q95 n LEU 107 Ca -0.36 -1.71 -0.15 0.00 -0.03 0.00 0.00 56.01 53.76 1q95 n LEU 107 Cb 0.71 -0.71 -0.15 0.00 -2.33 0.00 0.00 43.42 40.95 1q95 n LEU 107 CO 0.08 -1.09 -0.24 -0.69 -1.33 0.00 0.00 177.39 174.12 1q95 s VAL 108 N -3.08 -0.15 0.04 4.08 1.01 -1.26 -4.70 120.40 116.34 1q95 s VAL 108 Ca 0.63 0.27 -0.35 0.00 0.00 0.00 0.00 61.98 62.53 1q95 s VAL 108 Cb -0.03 -0.26 -0.14 0.00 0.00 0.00 0.00 36.38 35.95 1q95 s VAL 108 CO 0.43 0.11 1.60 0.00 0.00 0.00 0.00 175.10 177.24 1q95 h PRO 110 N 6.41 0.42 -6.20 0.00 0.11 -1.99 -3.42 132.00 127.34 1q95 h PRO 110 Ca -0.46 -0.05 -0.58 0.00 0.11 0.00 0.00 66.00 65.02 1q95 h PRO 110 Cb 1.28 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1q95 h PRO 110 CO 0.88 0.35 1.31 1.21 -0.21 0.00 0.00 178.00 181.54 1q95 s ASN 111 N -6.77 5.89 0.61 -2.05 2.47 -1.26 -4.88 114.94 108.94 1q95 s ASN 111 Ca -0.07 1.63 0.34 0.00 0.42 0.00 0.00 52.86 55.17 1q95 s ASN 111 Cb 0.17 -2.52 1.96 0.00 -1.45 0.00 0.00 41.25 39.41 1q95 s ASN 111 CO 0.73 -1.66 2.28 0.77 -3.72 0.00 0.00 177.10 175.50 1q95 h SER 112 N 12.97 0.00 -0.72 -4.21 4.64 -2.02 -2.87 113.55 121.34 1q95 h SER 112 Ca -0.37 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.65 1q95 h SER 112 Cb 1.19 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.10 1q95 h SER 112 CO 1.00 0.01 0.32 -3.20 -0.87 0.00 0.00 176.83 174.08 1q95 n ASN 113 N -3.63 3.95 -4.69 4.97 5.15 -1.26 -4.95 115.26 114.80 1q95 n ASN 113 Ca -0.03 -3.45 -0.40 0.00 -0.60 0.00 0.00 54.58 50.10 1q95 n ASN 113 Cb 0.09 -0.74 -0.05 0.00 -0.53 0.00 0.00 39.78 38.54 1q95 n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1q95 h ILE 115 N 4.97 0.41 -0.53 0.00 6.09 -1.92 -2.09 117.51 124.45 1q95 h ILE 115 Ca -0.36 -0.05 0.15 0.00 -1.37 0.00 0.00 64.86 63.23 1q95 h ILE 115 Cb 1.16 0.24 -0.02 0.00 0.47 0.00 0.00 36.82 38.68 1q95 h ILE 115 CO 0.77 0.03 0.43 0.77 -3.07 0.00 0.00 178.15 177.08 1q95 h SER 116 N 0.15 0.00 0.12 2.19 4.64 -1.92 -2.88 113.55 115.84 1q95 h SER 116 Ca 0.61 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.93 1q95 h SER 116 Cb 2.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.15 1q95 h SER 116 CO -0.15 0.00 -0.06 0.45 -0.87 0.00 0.00 176.83 176.20 1q95 h HIS 117 N 0.00 -0.14 -0.45 4.77 3.86 -1.76 -3.17 115.15 118.25 1q95 h HIS 117 Ca 0.25 -0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.39 1q95 h HIS 117 Cb 1.11 0.05 -0.04 0.00 1.06 0.00 0.00 27.41 29.59 1q95 h HIS 117 CO 0.00 0.05 0.08 0.00 0.86 0.00 0.00 177.93 178.93 1q95 n ALA 118 N -2.25 3.67 -2.61 2.45 0.00 -1.10 -4.95 120.51 115.73 1q95 n ALA 118 Ca -0.08 -1.43 -0.16 0.00 0.00 0.00 0.00 53.44 51.77 1q95 n ALA 118 Cb 0.15 -1.13 -0.11 0.00 0.00 0.00 0.00 19.45 18.36 1q95 n ALA 118 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1q95 s GLU 119 N -2.21 0.82 -0.97 0.00 0.41 -1.19 -5.07 118.70 110.49 1q95 s GLU 119 Ca 0.37 -1.05 -0.13 0.00 -0.41 0.00 0.00 54.97 53.76 1q95 s GLU 119 Cb 0.29 -0.66 -0.08 0.00 -1.78 0.00 0.00 34.13 31.90 1q95 s GLU 119 CO 0.10 0.13 2.12 -2.30 -0.49 0.00 0.00 175.26 174.82 1q95 n PRO 120 N 0.93 2.07 -3.86 0.39 -0.02 -1.26 -4.85 135.00 128.39 1q95 n PRO 120 Ca -0.19 -1.77 -0.09 0.00 -2.02 0.00 0.00 63.50 59.43 1q95 n PRO 120 Cb 0.56 -2.73 -0.07 0.00 -0.02 0.00 0.00 33.50 31.24 1q95 n PRO 120 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1q95 s VAL 121 N 3.87 0.10 0.11 -1.45 -7.23 -1.26 -5.16 120.40 109.38 1q95 s VAL 121 Ca 0.49 -1.16 -0.22 0.00 -1.81 0.00 0.00 61.98 59.28 1q95 s VAL 121 Cb 0.13 -1.51 -0.07 0.00 0.56 0.00 0.00 36.38 35.48 1q95 s VAL 121 CO 0.01 -0.45 0.66 -0.44 -0.31 0.00 0.00 175.10 174.57 1q95 s SER 122 N -2.89 7.20 0.77 4.85 0.01 -1.26 -5.01 113.70 117.38 1q95 s SER 122 Ca 0.09 1.43 -0.13 0.00 1.31 0.00 0.00 55.95 58.65 1q95 s SER 122 Cb 0.04 -2.42 0.06 0.00 0.21 0.00 0.00 66.02 63.91 1q95 s SER 122 CO -0.07 0.24 1.15 -0.94 0.41 0.00 0.00 173.24 174.04 1q95 s SER 123 N -1.09 4.07 -0.24 2.44 1.04 -1.26 -4.65 113.70 114.00 1q95 s SER 123 Ca 0.32 2.16 -0.14 0.00 0.48 0.00 0.00 55.95 58.77 1q95 s SER 123 Cb -0.21 -2.57 0.07 0.00 0.10 0.00 0.00 66.02 63.42 1q95 s SER 123 CO 0.22 -2.34 0.60 -0.55 0.98 0.00 0.00 173.24 172.15 1q95 s SER 124 N -2.53 -0.80 0.03 7.02 0.15 -1.26 -0.77 113.70 115.54 1q95 s SER 124 Ca 0.69 1.32 0.02 0.00 0.70 0.00 0.00 55.95 58.67 1q95 s SER 124 Cb -0.24 1.20 -0.02 0.00 -1.71 0.00 0.00 66.02 65.25 1q95 s SER 124 CO 0.50 -0.22 -0.07 -0.36 1.20 0.00 0.00 173.24 174.29 1q95 s PHE 125 N 1.50 0.58 -0.24 3.44 0.40 -1.10 -0.26 117.98 122.31 1q95 s PHE 125 Ca -0.09 -0.40 -0.17 0.00 -0.60 0.00 0.00 56.93 55.67 1q95 s PHE 125 Cb -0.06 -0.36 -0.03 0.00 0.51 0.00 0.00 43.02 43.08 1q95 s PHE 125 CO -0.17 -0.07 0.45 0.00 0.70 0.00 0.00 175.22 176.13 1q95 s ALA 126 N -1.09 3.57 0.06 5.36 0.00 -0.00 -2.50 121.76 127.16 1q95 s ALA 126 Ca -0.08 -0.62 -0.26 0.00 0.00 0.00 0.00 51.96 51.00 1q95 s ALA 126 Cb -0.08 -2.77 -0.05 0.00 0.00 0.00 0.00 23.12 20.21 1q95 s ALA 126 CO 0.00 -0.58 0.82 0.08 0.00 0.00 0.00 175.76 176.09 1q95 s VAL 127 N 1.92 4.67 -0.14 0.00 1.01 -0.80 -2.11 120.40 124.96 1q95 s VAL 127 Ca 0.19 1.76 -0.04 0.00 0.00 0.00 0.00 61.98 63.89 1q95 s VAL 127 Cb -0.15 -4.18 0.06 0.00 0.00 0.00 0.00 36.38 32.11 1q95 s VAL 127 CO 0.09 0.34 0.10 -0.60 0.00 0.00 0.00 175.10 175.03 1q95 s ARG 128 N -0.00 0.04 0.07 2.72 3.52 -0.22 -4.87 118.95 120.21 1q95 s ARG 128 Ca 0.41 0.06 -0.32 0.00 -0.13 0.00 0.00 55.73 55.75 1q95 s ARG 128 Cb -0.21 -1.46 -0.11 0.00 -1.56 0.00 0.00 34.95 31.60 1q95 s ARG 128 CO 0.25 -0.59 1.81 1.17 -0.81 0.00 0.00 175.30 177.13 1q95 n LYS 129 N 5.29 2.53 -4.54 5.12 3.00 -1.26 -1.78 118.16 126.52 1q95 n LYS 129 Ca -0.06 0.92 -0.26 0.00 -0.00 0.00 0.00 58.31 58.91 1q95 n LYS 129 Cb 0.49 -2.78 -0.09 0.00 0.00 0.00 0.00 35.03 32.65 1q95 n LYS 129 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1q95 s ARG 130 N 2.84 1.87 -0.53 1.64 3.52 -0.35 -4.90 118.95 123.05 1q95 s ARG 130 Ca 0.85 -2.11 -0.28 0.00 -0.13 0.00 0.00 55.73 54.06 1q95 s ARG 130 Cb -0.57 -0.96 0.01 0.00 -1.56 0.00 0.00 34.95 31.88 1q95 s ARG 130 CO 0.41 -0.31 1.45 0.00 -0.81 0.00 0.00 175.30 176.04 1q95 s ALA 131 N -3.14 2.82 -0.08 6.12 0.00 -1.26 -3.25 121.76 122.96 1q95 s ALA 131 Ca 0.27 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.67 1q95 s ALA 131 Cb 0.05 -4.08 0.00 0.00 0.00 0.00 0.00 23.12 19.09 1q95 s ALA 131 CO 0.13 -2.88 0.00 0.09 0.00 0.00 0.00 175.76 173.10 1q95 n ASN 132 N 9.64 -3.11 0.00 0.00 5.03 -1.26 -4.97 115.26 120.58 1q95 n ASN 132 Ca 0.14 0.02 0.00 0.00 0.87 0.00 0.00 54.58 55.61 1q95 n ASN 132 Cb 0.49 -0.68 0.00 0.00 -1.02 0.00 0.00 39.78 38.57 1q95 n ASN 132 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 1q95 n ASP 133 N 1.55 0.00 -3.93 6.41 5.75 -1.20 -5.14 116.55 119.99 1q95 n ASP 133 Ca -0.01 0.00 -0.27 0.00 -0.01 0.00 0.00 54.79 54.50 1q95 n ASP 133 Cb 0.03 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 39.95 1q95 n ASP 133 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1q95 s ILE 134 N -2.64 1.13 0.08 2.12 1.01 -1.26 -1.20 121.20 120.43 1q95 s ILE 134 Ca 0.00 -0.36 -0.24 0.00 0.00 0.00 0.00 60.65 60.05 1q95 s ILE 134 Cb 0.00 -1.13 -0.06 0.00 0.01 0.00 0.00 42.46 41.28 1q95 s ILE 134 CO 0.00 0.38 0.75 0.00 0.00 0.00 0.00 174.94 176.07 1q95 s ALA 135 N 1.67 3.41 -0.07 9.38 0.00 -0.73 -0.53 121.76 134.89 1q95 s ALA 135 Ca 0.05 0.28 0.03 0.00 0.00 0.00 0.00 51.96 52.32 1q95 s ALA 135 Cb -0.13 -2.95 0.01 0.00 0.00 0.00 0.00 23.12 20.05 1q95 s ALA 135 CO -0.09 0.16 -0.17 -0.51 0.00 0.00 0.00 175.76 175.15 1q95 s LEU 136 N -0.45 1.84 -0.18 0.00 1.43 0.24 -1.06 118.68 120.51 1q95 s LEU 136 Ca 0.37 -0.40 -0.00 0.00 -1.03 0.00 0.00 54.13 53.07 1q95 s LEU 136 Cb -0.21 -1.05 0.00 0.00 0.03 0.00 0.00 46.19 44.96 1q95 s LEU 136 CO 0.23 0.10 -0.14 -0.75 0.23 0.00 0.00 176.35 176.02 1q95 s LYS 137 N 0.44 3.18 0.22 1.70 2.20 -0.90 0.48 119.74 127.06 1q95 s LYS 137 Ca -0.14 -0.75 -0.30 0.00 -0.36 0.00 0.00 55.97 54.42 1q95 s LYS 137 Cb -0.16 -2.70 -0.10 0.00 -1.51 0.00 0.00 37.83 33.37 1q95 s LYS 137 CO 0.05 -0.11 1.42 0.00 -0.36 0.00 0.00 175.35 176.35 1q95 h LYS 139 N 5.42 0.00 0.00 0.00 3.64 -0.97 -1.87 116.57 122.79 1q95 h LYS 139 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1q95 h LYS 139 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1q95 h LYS 139 CO 0.80 0.03 0.00 0.66 -2.27 0.00 0.00 179.45 178.67 1q95 n TYR 140 N -4.36 0.00 0.67 1.91 4.01 -1.26 -4.49 117.16 113.64 1q95 n TYR 140 Ca -0.03 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.80 1q95 n TYR 140 Cb 0.12 -0.18 0.39 0.00 -0.31 0.00 0.00 39.34 39.35 1q95 n TYR 140 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1q95 n GLU 142 N -1.44 -0.54 -2.23 0.00 1.02 -0.70 -4.96 120.64 111.78 1q95 n GLU 142 Ca 0.05 0.14 -0.41 0.00 -0.02 0.00 0.00 57.16 56.92 1q95 n GLU 142 Cb 0.18 -3.89 -0.03 0.00 -0.02 0.00 0.00 31.44 27.68 1q95 n GLU 142 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1q95 s LYS 143 N -0.85 4.41 -0.04 3.49 -0.14 -1.26 -4.60 119.74 120.76 1q95 s LYS 143 Ca 0.00 2.05 0.03 0.00 -1.36 0.00 0.00 55.97 56.70 1q95 s LYS 143 Cb 0.00 -3.17 -0.03 0.00 -1.68 0.00 0.00 37.83 32.95 1q95 s LYS 143 CO 0.00 -0.18 -0.12 -2.00 -0.76 0.00 0.00 175.35 172.29 1q95 s GLU 144 N -0.63 2.53 0.20 1.68 2.12 -1.26 -0.18 118.70 123.16 1q95 s GLU 144 Ca 0.53 -0.68 -0.14 0.00 0.36 0.00 0.00 54.97 55.03 1q95 s GLU 144 Cb -0.37 -2.43 0.01 0.00 0.26 0.00 0.00 34.13 31.61 1q95 s GLU 144 CO 0.42 0.63 0.45 -0.59 -0.54 0.00 0.00 175.26 175.63 1q95 s PHE 145 N -0.79 0.09 0.12 5.30 -0.71 0.18 -4.92 117.98 117.24 1q95 s PHE 145 Ca 0.13 -0.45 -0.30 0.00 -1.04 0.00 0.00 56.93 55.27 1q95 s PHE 145 Cb -0.11 0.25 -0.06 0.00 -1.21 0.00 0.00 43.02 41.89 1q95 s PHE 145 CO 0.02 -0.88 0.95 0.45 -1.34 0.00 0.00 175.22 174.42 1q95 s SER 146 N -2.92 7.50 0.56 1.98 0.15 -1.26 0.82 113.70 120.54 1q95 s SER 146 Ca 0.13 1.80 0.40 0.00 0.70 0.00 0.00 55.95 58.98 1q95 s SER 146 Cb 0.00 -2.59 1.53 0.00 -1.71 0.00 0.00 66.02 63.26 1q95 s SER 146 CO -0.00 -0.04 1.66 1.12 1.20 0.00 0.00 173.24 177.18 1q95 h HIS 147 N 5.45 0.00 0.39 3.44 2.07 -1.16 0.10 115.15 125.45 1q95 h HIS 147 Ca -0.43 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.07 1q95 h HIS 147 Cb 1.21 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.19 1q95 h HIS 147 CO 0.64 0.00 -0.22 -0.91 -3.07 0.00 0.00 177.93 174.38 1q95 h ASN 148 N 0.00 -0.54 0.00 3.10 -0.26 -1.91 -3.11 115.58 112.86 1q95 h ASN 148 Ca 0.66 0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 56.42 1q95 h ASN 148 Cb 2.81 0.15 -0.00 0.00 -1.06 0.00 0.00 38.32 40.22 1q95 h ASN 148 CO -0.01 -0.36 0.06 0.52 -1.06 0.00 0.00 177.43 176.58 1q95 n VAL 149 N -5.35 0.57 -3.49 2.81 0.31 0.02 -4.51 118.33 108.69 1q95 n VAL 149 Ca -0.11 -0.18 -0.20 0.00 -0.01 0.00 0.00 64.34 63.84 1q95 n VAL 149 Cb 0.26 -1.24 -0.13 0.00 -0.91 0.00 0.00 33.84 31.82 1q95 n VAL 149 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1q95 s VAL 150 N 1.70 -0.29 -0.17 2.52 1.01 -1.18 -4.83 120.40 119.16 1q95 s VAL 150 Ca 0.04 -0.27 0.23 0.00 0.00 0.00 0.00 61.98 61.98 1q95 s VAL 150 Cb 0.02 -0.77 0.46 0.00 0.00 0.00 0.00 36.38 36.09 1q95 s VAL 150 CO 0.00 -0.33 1.15 0.18 0.00 0.00 0.00 175.10 176.11 1q95 n LEU 151 N 5.31 1.12 0.00 3.92 4.77 -1.26 -5.08 117.00 125.77 1q95 n LEU 151 Ca -0.05 -2.66 0.00 0.00 -0.03 0.00 0.00 56.01 53.27 1q95 n LEU 151 Cb 0.48 0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 1q95 n LEU 151 CO 0.06 0.91 0.00 0.00 -1.33 0.00 0.00 177.39 177.04 1q95 n ALA 152 N -0.27 0.00 0.00 -1.18 0.00 -1.26 -5.17 120.51 112.63 1q95 n ALA 152 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1q95 n ALA 152 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.37 1q95 n ALA 152 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59